2-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]acetic acid

• ChemBase编号: 105365
• 分子式: C17H28O2S
• 平均质量: 296.46802
• 单一同位素质量: 296.18100114
• SMILES: CC(=CCC/C(=C/CC/C(=C/CSCC(=O)O)/C)/C)C
• Canonical SMILES: OC(=O)CSC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
• InChI: InChI=1S/C17H28O2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-13-17(18)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)
• InChIKey: GNWWFEVBHYESNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]acetic acid
• IUPAC传统名: [(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]acetic acid
• 别名: FTA; FARNESYLTHIOACETIC ACID

登记号

• CAS号: 135784-48-4
• PubChem SID: 162093834
• PubChem CID: 5353623

理论计算性质

• Acid pKa: 4.6080074
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.023733
• LogD (pH = 7.4): 2.2474287
• Log P: 4.9671254
• 摩尔折射率: 91.8965 cm^3
• 极化性: 34.905197 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 02159920

Purity: 98%
A posttranslational modification reagent which specifically inhibits methyl esterification of farnesylated proteins.

参考文献

• Tan, E.W., et al., J. Biol. Chem. , 266 : 10719 (1991).